N,N'-dicyano-N'-ethyloxamide

C6H6N4O2 — CID 139670351

IUPACN,N'-dicyano-N'-ethyloxamide
SMILESCCN(C#N)C(=O)C(=O)NC#N
InChIInChI=1S/C6H6N4O2/c1-2-10(4-8)6(12)5(11)9-3-7/h2H2,1H3,(H,9,11)
InChIKeyIFTXTMDPFWSPIQ-UHFFFAOYSA-N
MW166.14 g/mol
LogP-1.09
Rot. Bonds1

About N,N'-dicyano-N'-ethyloxamide

N,N'-dicyano-N'-ethyloxamide (PubChem CID 139670351) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is N,N'-dicyano-N'-ethyloxamide.

Molecular Properties

Compound NameN,N'-dicyano-N'-ethyloxamide
PubChem CID139670351
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC NameN,N'-dicyano-N'-ethyloxamide
SMILESCCN(C#N)C(=O)C(=O)NC#N
InChIInChI=1S/C6H6N4O2/c1-2-10(4-8)6(12)5(11)9-3-7/h2H2,1H3,(H,9,11)
InChIKeyIFTXTMDPFWSPIQ-UHFFFAOYSA-N
XLogP-1.09
TPSA96.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N-(cyanomethyl)-N'-ethyl-N'-[2-(ethylamino)-2-oxoethyl]oxamide
CID 54986518
propyl 3-[cyano(ethyl)amino]-3-sulfanylidenepropanoate
CID 87938233
methyl 2-[[1-[cyano(ethyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]amino]-2-oxoacetate
CID 87926842
N-cyano-3-ethoxybut-2-enamide
CID 54044619
(3R)-N-cyano-3-methylpentanamide
CID 153396008
1-butyl-3-cyanourea
CID 115571493
N-[(Z)-4-[acetyl(cyano)amino]but-2-enyl]-N-cyanoacetamide
CID 86741084
N-cyano-N-ethyl-2,2-dimethyl-3-phenylpropanamide
CID 87927480
N-cyanododecanamide;zinc
CID 88641506
2-amino-N-cyanopentanamide
CID 79195129
N-cyanoacetamide;ethyl carbamate
CID 174761407
2-acetamido-N-cyano-N-ethyl-3-(4-hydroxyphenyl)propanamide
CID 87927918

Frequently Asked Questions

What is the IUPAC name of N,N'-dicyano-N'-ethyloxamide?
The IUPAC name of N,N'-dicyano-N'-ethyloxamide (CID 139670351) is N,N'-dicyano-N'-ethyloxamide.
What is the SMILES notation for N,N'-dicyano-N'-ethyloxamide?
The canonical SMILES for N,N'-dicyano-N'-ethyloxamide is CCN(C#N)C(=O)C(=O)NC#N.
What is the InChIKey of N,N'-dicyano-N'-ethyloxamide?
The InChIKey is IFTXTMDPFWSPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2/c1-2-10(4-8)6(12)5(11)9-3-7/h2H2,1H3,(H,9,11).
What are the key properties of N,N'-dicyano-N'-ethyloxamide?
N,N'-dicyano-N'-ethyloxamide has a molecular weight of 166.14 g/mol, XLogP of -1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyano-N'-ethyloxamide is sourced from PubChem (CID 139670351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).